BDBM254274 US10112937, Example 170::US10150765, Example 170::US10703749, Example 170::US9464084, 170

SMILES: C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F

InChI Key: InChIKey=AGGKPMUJDBNGSM-JTQLQIEISA-N

Data: 10 KI  10 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 254274   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US9464084 (2016) BindingDB Entry DOI: 10.7270/Q27D2T3Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US10703749 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US10150765 (2018) BindingDB Entry DOI: 10.7270/Q23T9K8V
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US10703749 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human or rat P2X7-1321N1 cells were collected and frozen @ −80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US10150765 (2018) BindingDB Entry DOI: 10.7270/Q23T9K8V
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description uman or rat P2X7-1321N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according t...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US9464084 (2016) BindingDB Entry DOI: 10.7270/Q27D2T3Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high ...				US Patent US10150765 (2018) BindingDB Entry DOI: 10.7270/Q23T9K8V
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321 N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glu...				US Patent US9464084 (2016) BindingDB Entry DOI: 10.7270/Q27D2T3Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321 N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glu...				US Patent US9464084 (2016) BindingDB Entry DOI: 10.7270/Q27D2T3Z
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US10703749 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human or rat P2X7-1321 N1 cells were collected and frozen @−80° C. On the day of the experiment, cell membrane preparations were made according...				US Patent US10703749 (2020)
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human, rat or mouse P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high ...				US Patent US10150765 (2018) BindingDB Entry DOI: 10.7270/Q23T9K8V
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254274 (US10112937, Example 170 | US10150765, Example 170 ...) Show SMILES C[C@@H]1N(CCc2c1nnn2-c1ccn(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C18H16ClF3N6O/c1-10-16-13(28(25-23-16)14-7-8-26(2)24-14)6-9-27(10)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-5,7-8,10H,6,9H2,1-2H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 1321N1 cells expressing the recombinant human or rat P2X7 channel was cultured in HyQ DME/(HyClone/Dulbecco's Modified Eagle Medium) high glucose...				US Patent US10112937 (2018) BindingDB Entry DOI: 10.7270/Q25H7J9N
					More data for this Ligand-Target Pair